SCHEMBL433306

SCHEMBL433306

COC(C)CCOC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14577198 0.82 CA1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9936885 0.80 TSHR (0.32)
SCHEMBL29074746 0.78 CA1 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1469331 0.77 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7737925 0.76 TSHR (0.40)
SCHEMBL11128650 0.75 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1128701 0.75 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL36334 0.75 ALOX15 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31685161 0.75 ALOX15 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11128665 0.75 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927759-B2 Method for producing 2-cyanoacetic acid anhydride and further reaction products thereof Henkel IP & Holding GmbH (DE) 2015-01-06 US disclosed
US-20130131370-A1 METHOD FOR PRODUCING 2-CYANOACETIC ACID ANHYDRIDE AND FURTHER REACTION PRODUCTS THEREOF Loctite (R&D) Limited Ltd. (IE) 2013-05-23 US disclosed
WO-2012010472-A1 METHOD FOR PRODUCING 2-CYANOACETIC ACID ANHYDRIDE AND FURTHER REACTION PRODUCTS THEREOF LOCTITE (R & D) LTD. (IE) 2012-01-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130131370-A1 METHOD FOR PRODUCING 2-CYANOACETIC ACID ANHYDRIDE AND FURTHER REACTION PRODUCTS THEREOF PCCA, CA2, COASY CHRNB2 1046/4885CHRNA4 1042/4885CHRNB4 1630/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.